Results 31 to 40 of about 1,087 (168)
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
Advanced Functional Materials, EarlyView.An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
Advanced Functional Materials, EarlyView.It is elucidated that phase engineering of cobalt modulates the interfacial potential gradients of cobalt–carbon electrocatalysts, enhancing the intrinsic electrocatalytic performance. Modulating the dominant crystalline phase of cobalt from a hexagonal close‐packed to a face‐centered cubic enriches the electron density of carbon shells, thereby ...
Ji‐Oh Kim +13 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley +1 more source
Advanced Functional Materials, EarlyView.This work provides a novel interpretation of the nitrate reduction mechanism on iron oxides (FeOx) by employing constant‐potential density functional calculations and reports the design and synthesis of a robust and high‐performance Fe3O4/Fe‐N4‐C catalyst with remarkable Faradaic efficiency, current density, and stability under practical reaction ...
Qiang Zhou +8 more
wiley +1 more source
Dense Nanofibrillar Collagen–Silica Hybrids with High Strength and ECM‐Mimetic Tissue Integration
Advanced Functional Materials, EarlyView.Dense nanofibrillar collagen–silica hybrids are engineered by synchronizing collagen fibrillogenesis with silica condensation, producing printable scaffolds that unexpectedly approach native extracellular matrix organization and strength. These cell‐free constructs guide endogenous cell‐infiltration, enable localized matrix remodeling, and integrate ...
Norein Norein +7 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A Cu‐based crystal‐glass composite with high‐density twins is identified by a fast screening technique using combinatorial sputtering together with XRD and nanoindentation mapping. This bamboo‐like structure demonstrates homogenous plastic flow and retains high strength during in situ high temperature tests, up to 1 GPa at 550°C, owing to those ...
Chunhua Tian +10 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A pixelation‐free, monolithic iontronic pressure sensor enables simultaneous pressure and position sensing over large areas. AC‐driven ion release generates spatially varying impedance pathways depending on the pressure. Machine learning algorithms effectively decouple overlapping pressure–position signals from the multichannel outputs, achieving high ...
Juhui Kim +10 more
wiley +1 more source
Artificial Intelligence as the Next Visionary in Liquid Crystal Research
Advanced Functional Materials, EarlyView.The functions of AI in the research laboratory are becoming increasingly sophisticated, allowing the entire process of hypothesis formulation, material design, synthesis, experimental design, and reiterative testing to be automated. In our work, we conceive how the incorporation of AI in the laboratory environment will transform the role and ...
Mert O. Astam +2 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Optoelectronic synaptic devices based on solution‐processed molecular telluride GST‐225 phase‐change inks are demonstrated for three‐factor learning. A global optical signal broadcast through a silicon waveguide induces non‐volatile conductance updates exclusively in locally electrically flagged memristors.
Kevin Portner +14 more
wiley +1 more source
From Bug to Feature: Harnessing Cross‐Sensitivity for Multiparametric Luminescence Sensing
Advanced Functional Materials, EarlyView.Cross‐sensitivity in luminescence sensing is reframed from a limitation into a resource for multiparametric detection. Using ruby microspheres as a model system, cross‐sensitivity is quantitatively assessed and exploited through linear discriminant analysis, enabling simultaneous, correction‐free pressure and temperature sensing with a single ...
Nikita Panov +5 more
wiley +1 more source